SCHEMBL13354826

SCHEMBL13354826

C[C@@H]1C[C@@H](N(C)C(=O)OC(C)(C)C)CN(c2cc(-c3ccc(N)c(F)c3)nc(N)n2)C1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 8/20 0.60
▸ PDPK1 O15530 8/20 0.60
▸ AURKB Q96GD4 8/20 0.60
▸ SCN2A Q99250 1/20 0.36
▸ PDE10A Q9Y233 1/20 0.35
▸ RET P07949 1/20 0.34
▸ PIK3R1 P27986 1/20 0.34
▸ PIK3CA P42336 1/20 0.34
▸ HRH3 Q9Y5N1 3/20 0.34
▸ HRH4 Q9H3N8 3/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12119846 0.90 AURKA (0.56) AURKAPDPK1AURKBRETHRH3
SCHEMBL12119858 0.87 AURKA (0.53) AURKAPDPK1AURKBSCN2APDE10A
SCHEMBL13354783 0.87 AURKA (0.72) AURKAPDPK1AURKBSCN2AHRH3
SCHEMBL12119859 0.84 PDPK1 (0.65) AURKAPDPK1AURKB
SCHEMBL12119847 0.84 PDPK1 (0.83) AURKAPDPK1AURKB
SCHEMBL12119856 0.83 PDPK1 (0.74) AURKAPDPK1AURKB
SCHEMBL12119848 0.80 AURKA (0.53) AURKAPDPK1AURKBPDE10APIK3R1
SCHEMBL16966473 0.77 AURKA (0.52) AURKAPDPK1AURKBHRH3HRH4
SCHEMBL1318114 0.77 AURKA (0.68) AURKAPDPK1AURKBHRH3HRH4
SCHEMBL16966437 0.74 AURKA (0.48) AURKAPDPK1AURKBSCN2AHRH3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010059658-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2010-05-27 — — WO disclosed
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